3-bromo-1-methylpyrazole-5-carboxamide

C5H6BrN3O — CID 131039672

IUPAC3-bromo-1-methylpyrazole-5-carboxamide
SMILESCn1nc(Br)cc1C(N)=O
InChIInChI=1S/C5H6BrN3O/c1-9-3(5(7)10)2-4(6)8-9/h2H,1H3,(H2,7,10)
InChIKeyNKIJRYGSTHGTSZ-UHFFFAOYSA-N
MW204.03 g/mol
LogP0.28
Rot. Bonds1

About 3-bromo-1-methylpyrazole-5-carboxamide

3-bromo-1-methylpyrazole-5-carboxamide (PubChem CID 131039672) has the molecular formula C5H6BrN3O and a molecular weight of 204.03 g/mol. Its IUPAC name is 3-bromo-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-bromo-1-methylpyrazole-5-carboxamide
PubChem CID131039672
Molecular FormulaC5H6BrN3O
Molecular Weight204.03 g/mol
Exact Mass202.97
IUPAC Name3-bromo-1-methylpyrazole-5-carboxamide
SMILESCn1nc(Br)cc1C(N)=O
InChIInChI=1S/C5H6BrN3O/c1-9-3(5(7)10)2-4(6)8-9/h2H,1H3,(H2,7,10)
InChIKeyNKIJRYGSTHGTSZ-UHFFFAOYSA-N
XLogP0.28
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.03
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Bromo-2H-pyrazole-3-carboxylic acid methylamide
CID 76963830
1-methyl-1H-pyrazole-5-carboxamide
CID 7020587
3-bromo-1-methyl-1H-pyrazole-5-carbaldehyde
CID 82404839
3-bromo-1-(methoxymethyl)-1H-pyrazole-5-carbaldehyde
CID 126744271
2-bromo-4H,5H-pyrazolo(1,5-a)pyrazin-4-one
CID 153945182
2-bromo-5-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-4-one
CID 154668289
3-bromo-1-(propan-2-yl)-1H-pyrazole-5-carbaldehyde
CID 165668267
3-bromo-1-ethyl-1H-pyrazole-5-carbaldehyde
CID 165771068
3-bromo-N-(2-fluoroethyl)-1-methylpyrazole-5-carboxamide
CID 130658705
5-Fluoro-1-methyl-1H-pyrazole-3-carboxamide
CID 176469848
4-Amino-5-bromo-1-methylpyrazole-3-carboxamide
CID 18329748
4-Bromo-1-methyl-1H-pyrazole-5-carboxamide
CID 68762128

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-methylpyrazole-5-carboxamide?
The IUPAC name of 3-bromo-1-methylpyrazole-5-carboxamide (CID 131039672) is 3-bromo-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 3-bromo-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 3-bromo-1-methylpyrazole-5-carboxamide is Cn1nc(Br)cc1C(N)=O.
What is the InChIKey of 3-bromo-1-methylpyrazole-5-carboxamide?
The InChIKey is NKIJRYGSTHGTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrN3O/c1-9-3(5(7)10)2-4(6)8-9/h2H,1H3,(H2,7,10).
What are the key properties of 3-bromo-1-methylpyrazole-5-carboxamide?
3-bromo-1-methylpyrazole-5-carboxamide has a molecular weight of 204.03 g/mol, XLogP of 0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 131039672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).